4EI4

JAK1 kinase (JH1 domain) in complex with compound 20

Summary for 4EI4

• Entry DOI: 10.2210/pdb4ei4/pdb
• Related: 4EHZ 4F08 4F09
• Descriptor: Tyrosine-protein kinase JAK1, (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol (3 entities in total)
• Functional Keywords: protein kinase, phospho-transfer catalyst, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Endomembrane system; Peripheral membrane protein: P23458
• Total number of polymer chains: 2
• Total formula weight: 70033.85

Authors

Eigenbrot, C.,Steffek, M. (deposition date: 2012-04-04, release date: 2012-07-04, Last modification date: 2023-12-06)

• Primary citation: Zak, M.,Mendonca, R.,Balazs, M.,Barrett, K.,Bergeron, P.,Blair, W.S.,Chang, C.,Deshmukh, G.,Devoss, J.,Dragovich, P.S.,Eigenbrot, C.,Ghilardi, N.,Gibbons, P.,Gradl, S.,Hamman, C.,Hanan, E.J.,Harstad, E.,Hewitt, P.R.,Hurley, C.A.,Jin, T.,Johnson, A.,Johnson, T.,Kenny, J.R.,Koehler, M.F.,Bir Kohli, P.,Kulagowski, J.J.,Labadie, S.,Liao, J.,Liimatta, M.,Lin, Z.,Lupardus, P.J.,Maxey, R.J.,Murray, J.M.,Pulk, R.,Rodriguez, M.,Savage, S.,Shia, S.,Steffek, M.,Ubhayakar, S.,Ultsch, M.,van Abbema, A.,Ward, S.I.,Xiao, L.,Xiao, Y.; Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.; J.Med.Chem., 55:6176-6193, 2012; PubMed: 22698084; DOI: 10.1021/jm300628c

Experimental method

X-RAY DIFFRACTION (2.22 Å)